6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide

C33H37ClN8O4 — CID 134436495

IUPAC6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(COCCN4CCOCC4)(NC(=O)c4cccc(Cl)n4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C33H37ClN8O4/c1-2-46-26-18-27(31-25(19-35)21-37-42(31)22-26)24-6-7-30(36-20-24)41-10-8-33(9-11-41,23-45-17-14-40-12-15-44-16-13-40)39-32(43)28-4-3-5-29(34)38-28/h3-7,18,20-22H,2,8-17,23H2,1H3,(H,39,43)
InChIKeyNICNJPDVVOQEQT-UHFFFAOYSA-N
MW645.16 g/mol
LogP3.83
Rot. Bonds11

About 6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide

6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134436495) has the molecular formula C33H37ClN8O4 and a molecular weight of 645.16 g/mol. Its IUPAC name is 6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID134436495
Molecular FormulaC33H37ClN8O4
Molecular Weight645.16 g/mol
Exact Mass644.26
IUPAC Name6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(COCCN4CCOCC4)(NC(=O)c4cccc(Cl)n4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C33H37ClN8O4/c1-2-46-26-18-27(31-25(19-35)21-37-42(31)22-26)24-6-7-30(36-20-24)41-10-8-33(9-11-41,23-45-17-14-40-12-15-44-16-13-40)39-32(43)28-4-3-5-29(34)38-28/h3-7,18,20-22H,2,8-17,23H2,1H3,(H,39,43)
InChIKeyNICNJPDVVOQEQT-UHFFFAOYSA-N
XLogP3.83
TPSA130.14 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.16
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide (CID 134436495) is 6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide is CCOc1cc(-c2ccc(N3CCC(COCCN4CCOCC4)(NC(=O)c4cccc(Cl)n4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is NICNJPDVVOQEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37ClN8O4/c1-2-46-26-18-27(31-25(19-35)21-37-42(31)22-26)24-6-7-30(36-20-24)41-10-8-33(9-11-41,23-45-17-14-40-12-15-44-16-13-40)39-32(43)28-4-3-5-29(34)38-28/h3-7,18,20-22H,2,8-17,23H2,1H3,(H,39,43).
What are the key properties of 6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide?
6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 645.16 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134436495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).